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PubMed code 26584879

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein Mdm4


(Homo sapiens (Human))
BDBM50499318
PNG
(CHEMBL3735996)
Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(4.8,1.11,;4.2,.03,;4.82,-1.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
Show InChI InChI=1S/C30H20Cl2N2O2/c31-20-12-10-18(11-13-20)17-34-25-9-5-4-8-23(25)26(19-6-2-1-3-7-19)29(34)27-22-15-14-21(32)16-24(22)33-28(27)30(35)36/h1-16,33H,17H2,(H,35,36)
PDB
MMDB

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200n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDMX (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50499316
PNG
(CHEMBL3734953)
Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(4.8,1.11,;4.2,.03,;4.82,-1.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-4.56,3.06,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
Show InChI InChI=1S/C30H19Cl2FN2O2/c31-19-9-5-17(6-10-19)16-35-25-4-2-1-3-23(25)26(18-7-12-21(33)13-8-18)29(35)27-22-14-11-20(32)15-24(22)34-28(27)30(36)37/h1-15,34H,16H2,(H,36,37)
PDB
MMDB

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700n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDM2 (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50436047
PNG
(CHEMBL1233798)
Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccccc1 |(-2.71,1.13,;-1.94,2.47,;-2.71,3.8,;-.4,2.47,;.5,3.71,;1.96,3.24,;3.3,4.01,;4.63,3.24,;5.97,4.01,;4.63,1.7,;3.3,.93,;1.96,1.7,;.5,1.22,;.02,-.24,;.93,-1.49,;.02,-2.73,;-1.44,-2.26,;-1.44,-.72,;-2.69,.19,;-4.09,-.44,;-4.25,-1.97,;-5.66,-2.6,;-6.91,-1.69,;-8.31,-2.32,;-6.75,-.16,;-5.34,.47,;2.47,-1.49,;3.24,-.15,;4.78,-.15,;5.55,-1.49,;4.78,-2.82,;3.24,-2.82,)|
Show InChI InChI=1S/C25H17Cl2N3O2/c26-17-8-6-15(7-9-17)13-30-14-28-22(16-4-2-1-3-5-16)24(30)21-19-11-10-18(27)12-20(19)29-23(21)25(31)32/h1-12,14,29H,13H2,(H,31,32)
PDB
MMDB

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MMDB
PC cid
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MMDB
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920n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDM2 (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein Mdm4


(Homo sapiens (Human))
BDBM50499316
PNG
(CHEMBL3734953)
Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(4.8,1.11,;4.2,.03,;4.82,-1.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-4.56,3.06,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
Show InChI InChI=1S/C30H19Cl2FN2O2/c31-19-9-5-17(6-10-19)16-35-25-4-2-1-3-23(25)26(18-7-12-21(33)13-8-18)29(35)27-22-14-11-20(32)15-24(22)34-28(27)30(36)37/h1-15,34H,16H2,(H,36,37)
PDB
MMDB

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1.50E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDMX (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50499318
PNG
(CHEMBL3735996)
Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(4.8,1.11,;4.2,.03,;4.82,-1.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
Show InChI InChI=1S/C30H20Cl2N2O2/c31-20-12-10-18(11-13-20)17-34-25-9-5-4-8-23(25)26(19-6-2-1-3-7-19)29(34)27-22-15-14-21(32)16-24(22)33-28(27)30(35)36/h1-16,33H,17H2,(H,35,36)
PDB
MMDB

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1.80E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDM2 (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50499315
PNG
(CHEMBL3735566)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(7.15,-2.34,;6.52,-1.28,;4.98,-1.29,;4.2,.03,;4.8,1.11,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-4.56,3.06,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
Show InChI InChI=1S/C32H23Cl2FN2O2/c1-2-39-32(38)30-29(24-16-13-22(34)17-26(24)36-30)31-28(20-9-14-23(35)15-10-20)25-5-3-4-6-27(25)37(31)18-19-7-11-21(33)12-8-19/h3-17,36H,2,18H2,1H3
PDB
MMDB

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5.00E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDMX (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50499317
PNG
(CHEMBL3735043)
Show SMILES Clc1ccc(Cn2c(-c3c([nH]c4cc(Cl)ccc34)C(=O)NCCN3CCOCC3)c(-c3ccccc3)c3ccccc23)cc1 |(10.13,5.08,;9.03,4.52,;8.95,2.98,;7.58,2.28,;6.29,3.11,;4.92,2.41,;3.63,3.25,;2.23,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;4.2,.03,;4.8,1.11,;4.98,-1.29,;6.52,-1.28,;7.3,-2.61,;8.84,-2.59,;9.63,-3.92,;11.17,-3.9,;11.92,-2.56,;11.14,-1.23,;9.6,-1.25,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;6.37,4.65,;7.74,5.35,)|
Show InChI InChI=1S/C36H32Cl2N4O2/c37-26-12-10-24(11-13-26)23-42-31-9-5-4-8-29(31)32(25-6-2-1-3-7-25)35(42)33-28-15-14-27(38)22-30(28)40-34(33)36(43)39-16-17-41-18-20-44-21-19-41/h1-15,22,40H,16-21,23H2,(H,39,43)
PDB
MMDB

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6.09E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDMX (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50499315
PNG
(CHEMBL3735566)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(7.15,-2.34,;6.52,-1.28,;4.98,-1.29,;4.2,.03,;4.8,1.11,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-4.56,3.06,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
Show InChI InChI=1S/C32H23Cl2FN2O2/c1-2-39-32(38)30-29(24-16-13-22(34)17-26(24)36-30)31-28(20-9-14-23(35)15-10-20)25-5-3-4-6-27(25)37(31)18-19-7-11-21(33)12-8-19/h3-17,36H,2,18H2,1H3
PDB
MMDB

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6.70E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDM2 (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50499313
PNG
(CHEMBL3735387)
Show SMILES Clc1ccc(Cn2c(-c3c[nH]c4cc(Cl)ccc34)c(-c3ccccc3)c3ccccc23)cc1 |(4.61,-3.43,;4.68,-2.2,;6.05,-1.5,;6.13,.04,;4.84,.87,;4.92,2.41,;3.63,3.25,;2.23,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.23,3.86,;-.3,3.74,;-1.08,2.41,;-2.62,2.42,;-3.38,3.75,;-2.61,5.08,;-1.07,5.08,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.47,.17,;3.39,-1.36,)|
Show InChI InChI=1S/C29H20Cl2N2/c30-21-12-10-19(11-13-21)18-33-27-9-5-4-8-24(27)28(20-6-2-1-3-7-20)29(33)25-17-32-26-16-22(31)14-15-23(25)26/h1-17,32H,18H2
PDB
MMDB

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1.00E+4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDM2 (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50499312
PNG
(CHEMBL3735271)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(7.15,-2.34,;6.52,-1.28,;4.98,-1.29,;4.2,.03,;4.8,1.11,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
Show InChI InChI=1S/C32H24Cl2N2O2/c1-2-38-32(37)30-29(24-17-16-23(34)18-26(24)35-30)31-28(21-8-4-3-5-9-21)25-10-6-7-11-27(25)36(31)19-20-12-14-22(33)15-13-20/h3-18,35H,2,19H2,1H3
PDB
MMDB

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1.70E+4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDM2 (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50499314
PNG
(CHEMBL3734842)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(7.15,-2.34,;6.52,-1.28,;4.98,-1.29,;4.2,.03,;4.8,1.11,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-4.56,3.06,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
Show InChI InChI=1S/C32H23Cl3N2O2/c1-2-39-32(38)30-29(24-16-15-23(35)17-26(24)36-30)31-28(20-9-13-22(34)14-10-20)25-5-3-4-6-27(25)37(31)18-19-7-11-21(33)12-8-19/h3-17,36H,2,18H2,1H3
PDB
MMDB

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>2.20E+4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDM2 (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50436047
PNG
(CHEMBL1233798)
Show SMILES OC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(ncn1Cc1ccc(Cl)cc1)-c1ccccc1 |(-2.71,1.13,;-1.94,2.47,;-2.71,3.8,;-.4,2.47,;.5,3.71,;1.96,3.24,;3.3,4.01,;4.63,3.24,;5.97,4.01,;4.63,1.7,;3.3,.93,;1.96,1.7,;.5,1.22,;.02,-.24,;.93,-1.49,;.02,-2.73,;-1.44,-2.26,;-1.44,-.72,;-2.69,.19,;-4.09,-.44,;-4.25,-1.97,;-5.66,-2.6,;-6.91,-1.69,;-8.31,-2.32,;-6.75,-.16,;-5.34,.47,;2.47,-1.49,;3.24,-.15,;4.78,-.15,;5.55,-1.49,;4.78,-2.82,;3.24,-2.82,)|
Show InChI InChI=1S/C25H17Cl2N3O2/c26-17-8-6-15(7-9-17)13-30-14-28-22(16-4-2-1-3-5-16)24(30)21-19-11-10-18(27)12-20(19)29-23(21)25(31)32/h1-12,14,29H,13H2,(H,31,32)
PDB
MMDB

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CHEMBL
MMDB
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PDB
UniChem
Article
PubMed
3.60E+4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDMX (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50499312
PNG
(CHEMBL3735271)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(7.15,-2.34,;6.52,-1.28,;4.98,-1.29,;4.2,.03,;4.8,1.11,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
Show InChI InChI=1S/C32H24Cl2N2O2/c1-2-38-32(37)30-29(24-17-16-23(34)18-26(24)35-30)31-28(21-8-4-3-5-9-21)25-10-6-7-11-27(25)36(31)19-20-12-14-22(33)15-13-20/h3-18,35H,2,19H2,1H3
PDB
MMDB

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UniChem
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>6.00E+4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDMX (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50499317
PNG
(CHEMBL3735043)
Show SMILES Clc1ccc(Cn2c(-c3c([nH]c4cc(Cl)ccc34)C(=O)NCCN3CCOCC3)c(-c3ccccc3)c3ccccc23)cc1 |(10.13,5.08,;9.03,4.52,;8.95,2.98,;7.58,2.28,;6.29,3.11,;4.92,2.41,;3.63,3.25,;2.23,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;4.2,.03,;4.8,1.11,;4.98,-1.29,;6.52,-1.28,;7.3,-2.61,;8.84,-2.59,;9.63,-3.92,;11.17,-3.9,;11.92,-2.56,;11.14,-1.23,;9.6,-1.25,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;6.37,4.65,;7.74,5.35,)|
Show InChI InChI=1S/C36H32Cl2N4O2/c37-26-12-10-24(11-13-26)23-42-31-9-5-4-8-29(31)32(25-6-2-1-3-7-25)35(42)33-28-15-14-27(38)22-30(28)40-34(33)36(43)39-16-17-41-18-20-44-21-19-41/h1-15,22,40H,16-21,23H2,(H,39,43)
PDB
MMDB

NCI pathway
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>6.00E+4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDM2 (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50499314
PNG
(CHEMBL3734842)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 |(7.15,-2.34,;6.52,-1.28,;4.98,-1.29,;4.2,.03,;4.8,1.11,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;1.23,3.86,;-.3,3.74,;-1.27,4.93,;-2.79,4.69,;-3.34,3.25,;-4.56,3.06,;-2.37,2.05,;-.85,2.3,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.63,3.25,;4.92,2.41,;6.29,3.11,;7.58,2.28,;8.95,2.98,;9.03,4.52,;10.13,5.08,;7.74,5.35,;6.37,4.65,)|
Show InChI InChI=1S/C32H23Cl3N2O2/c1-2-39-32(38)30-29(24-16-15-23(35)17-26(24)36-30)31-28(20-9-13-22(34)14-10-20)25-5-3-4-6-27(25)37(31)18-19-7-11-21(33)12-8-19/h3-17,36H,2,18H2,1H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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UniChem
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PubMed
>6.00E+4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDMX (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
Protein Mdm4


(Homo sapiens (Human))
BDBM50499313
PNG
(CHEMBL3735387)
Show SMILES Clc1ccc(Cn2c(-c3c[nH]c4cc(Cl)ccc34)c(-c3ccccc3)c3ccccc23)cc1 |(4.61,-3.43,;4.68,-2.2,;6.05,-1.5,;6.13,.04,;4.84,.87,;4.92,2.41,;3.63,3.25,;2.23,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.23,3.86,;-.3,3.74,;-1.08,2.41,;-2.62,2.42,;-3.38,3.75,;-2.61,5.08,;-1.07,5.08,;2.04,5.16,;1.61,6.64,;2.7,7.75,;4.19,7.37,;4.62,5.87,;3.53,4.78,;3.47,.17,;3.39,-1.36,)|
Show InChI InChI=1S/C29H20Cl2N2/c30-21-12-10-19(11-13-21)18-33-27-9-5-4-8-24(27)28(20-6-2-1-3-7-20)29(33)25-17-32-26-16-22(31)14-15-23(25)26/h1-17,32H,18H2
PDB
MMDB

NCI pathway
KEGG

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PubMed
>6.00E+4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Competition binding affinity to MDMX (unknown origin) using p53 mimicking peptide TSFAEYWNLLSP after 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 25: 5661-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.019
BindingDB Entry DOI: 10.7270/Q2WM1HF9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%